[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone

C21H21ClF3N3O2 — CID 38982023

IUPAC[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C21H21ClF3N3O2/c22-16-3-6-19(26-13-16)27-10-7-14(8-11-27)20(29)28-9-1-2-15-12-17(4-5-18(15)28)30-21(23,24)25/h3-6,12-14H,1-2,7-11H2
InChIKeyPIMIFEFKZUFMPM-UHFFFAOYSA-N
MW439.87 g/mol
LogP4.83
Rot. Bonds3

About [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone

[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 38982023) has the molecular formula C21H21ClF3N3O2 and a molecular weight of 439.87 g/mol. Its IUPAC name is [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID38982023
Molecular FormulaC21H21ClF3N3O2
Molecular Weight439.87 g/mol
Exact Mass439.13
IUPAC Name[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C21H21ClF3N3O2/c22-16-3-6-19(26-13-16)27-10-7-14(8-11-27)20(29)28-9-1-2-15-12-17(4-5-18(15)28)30-21(23,24)25/h3-6,12-14H,1-2,7-11H2
InChIKeyPIMIFEFKZUFMPM-UHFFFAOYSA-N
XLogP4.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 38982023) is [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone is O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is PIMIFEFKZUFMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N3O2/c22-16-3-6-19(26-13-16)27-10-7-14(8-11-27)20(29)28-9-1-2-15-12-17(4-5-18(15)28)30-21(23,24)25/h3-6,12-14H,1-2,7-11H2.
What are the key properties of [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone?
[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 439.87 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-pyridinyl)piperidin-4-yl]-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 38982023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).